Understanding Static and Dynamic Heterogeneities in Confined Water

波士顿大学的尤金·斯坦利因涉及承压水中静态和动态非均质性的研究而获得理论和计算化学计划颁发的奖项。这项研究涉及对在受限空间中可能发生的高密度和低密度水之间可能发生的液-液相变的研究。这种相变对水的其他性质的影响也在探索中。研究活动分为两类：(I)计算机模拟、理论和实验相结合，以探索受限环境中过冷水的动力学和热力学性质；(Ii)正在研究一类允许探索基本行为谱的双尺度势。这项研究是与斯坦利来自世界各地的许多合作者合作进行的。这项工作预计将对我们对受限空间中的水的理解产生广泛的影响，比如人们预计会在离子通道和蛋白质内部的空穴中发现水。

Eugene Stanley of Boston University is supported by an award from the Theoretical and Computational Chemistry program for research involving the static and dynamic heterogeneities in confined water. The research involves an investigation of a possible liquid-liquid phase transition that might occur between a high-density and a low-density phase of water in confined spaces. Implications of such a phase transition for other properties of water are also being explored. The research activities fall into two categories: (i) computer simulation, theory and experiment are being combined to probe the nature of the dynamics and thermodynamics of supercooled water in confined environments; and (ii) a family of two-scale potentials that allow the exploration of a spectrum of fundamental behaviors are being studied. The research is being carried out in cooperation with a number of Stanley's collaborators from around the world. The work is expected to have a broad impact on our understanding of water in confined spaces such as one would expect to find in the interior of ion channels and cavities within proteins.